3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide

C12H11FN2O2S — CID 55215048

IUPAC3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccccc1F
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-2-4-10(9)18-7-8-5-6-17-11(8)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyRFIYTWRLKXFALN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.31
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide

3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 55215048) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID55215048
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccccc1F
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-2-4-10(9)18-7-8-5-6-17-11(8)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyRFIYTWRLKXFALN-UHFFFAOYSA-N
XLogP2.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43131920
3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
CID 63937801
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
3-[(2,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244559
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212134

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 55215048) is 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1occc1CSc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is RFIYTWRLKXFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-2-4-10(9)18-7-8-5-6-17-11(8)12(16)15-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 55215048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).